[4-[6-(propylamino)pyridin-3-yl]carbonylpiperazin-1-yl]-(9H-xanthen-9-yl)methanone

Systemtic Name: [4-[6-(propylamino)pyridin-3-yl]carbonylpiperazin-1-yl]-(9H-xanthen-9-yl)methanone Openeye Name: [4-[6-(propylamino)pyridine-3-carbonyl]piperazin-1-yl]-(9H-xanthen-9-yl)methanone CAS Name: [4-[oxo-[6-(propylamino)-3-pyridinyl]methyl]-1-piperazinyl]-(9H-xanthen-9-yl)methanone IUPAC Name: [4-[6-(propylamino)pyridine-3-carbonyl]piperazin-1-yl]-(9H-xanthen-9-yl)methanone Traditional Name: [4-[6-(propylamino)nicotinoyl]piperazino]-(9H-xanthen-9-yl)methanone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCCNC1=NC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H28N4O3/c1-2-13-28-24-12-11-19(18-29-24)26(32)30-14-16-31(17-15-30)27(33)25-20-7-3-5-9-22(20)34-23-10-6-4-8-21(23)25/h3-12,18,25H,2,13-17H2,1H3,(H,28,29)